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化合物简介
3,4,5-Trichloronitrobenzene a reagent, used in the synthesis of INT131, a PPARγ molecule that regulates insulin sensitivity. Also is used in the synthesis of thyroid hormone receptor β selective ligands that are used in hormone treatments.
基本信息
CAS:20098-48-0
中文别名:3,4,5-三氯硝基苯;
英文别名:EINECS 243-511-6;Benzene, 1,2,3-trichloro-5-nitro-;3,4,5-trichloro-1-nitrobenzene;Benzene,1,2,3-trichloro-5-nitro;1,2,3-Trichloro-5-nitrobenzene;1,2,6-trichloro-4-nitrobenzene;5-Nitro-1,2,3-trichlorobenzene;1,2,3-trichloro-5-nitro-benzene;1,2,3-chloro-5-nitrobenzene;3,4,5-Trichloronitrobenzene;
分子式:C6H2Cl3NO2
分子量:226.445
精确质量:224.915
Psa:45.82
Logp:4.0782
中文别名:3,4,5-三氯硝基苯;
英文别名:EINECS 243-511-6;Benzene, 1,2,3-trichloro-5-nitro-;3,4,5-trichloro-1-nitrobenzene;Benzene,1,2,3-trichloro-5-nitro;1,2,3-Trichloro-5-nitrobenzene;1,2,6-trichloro-4-nitrobenzene;5-Nitro-1,2,3-trichlorobenzene;1,2,3-trichloro-5-nitro-benzene;1,2,3-chloro-5-nitrobenzene;3,4,5-Trichloronitrobenzene;
分子式:C6H2Cl3NO2
分子量:226.445
精确质量:224.915
Psa:45.82
Logp:4.0782
编号系统
EINECS号:243-511-6
PubChem号:24865778
BRN号:2505480
MDL号:MFCD00061096
PubChem号:24865778
BRN号:2505480
MDL号:MFCD00061096
物化性质
外观与性状:灰白-黄色晶体或黄色结晶固体
密度:1.651 g/cm3
沸点:284.1ºC at 760 mmHg
熔点:68-71°C(lit.)
闪点:125.6ºC
折射率:1.609
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.00522mmHg at 25°C
密度:1.651 g/cm3
沸点:284.1ºC at 760 mmHg
熔点:68-71°C(lit.)
闪点:125.6ºC
折射率:1.609
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.00522mmHg at 25°C
安全信息
安全说明:S36/37/39-S36/37
WGK Germany:3
危险类别码:R20/21/22
海关编码:2904909090
危险品运输编码:2811
危险类别:6.1
包装等级:III
危险品标志:Xn
WGK Germany:3
危险类别码:R20/21/22
海关编码:2904909090
危险品运输编码:2811
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
用途
用作医药中间体
用作医药中间体
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
